SCHEMBL229005

SCHEMBL229005

Oc1ccc2c(c1)CCC(c1ccc(O)cc1NCCCc1ccc(OCCN3CCCCCCC3)cc1)C2

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 17/20 0.48
ESR2 Q92731 17/20 0.48
HRH3 Q9Y5N1 2/20 0.47
MLNR O43193 1/20 0.47
NR1I2 O75469 1/20 0.47
NR3C1 P04150 1/20 0.47
CHRM2 P08172 1/20 0.47
ADRB1 P08588 1/20 0.47
ADRA2A P08913 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
CHRM1 P11229 1/20 0.47
DRD2 P14416 1/20 0.47
ADRA2B P18089 1/20 0.47
ADRA2C P18825 1/20 0.47
CHRM3 P20309 1/20 0.47
SLC6A2 P23975 1/20 0.47
NPY1R P25929 1/20 0.47
HTR2A P28223 1/20 0.47
HTR2C P28335 1/20 0.47
AVPR2 P30518 1/20 0.47

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL228105 1.00 ESR1 (0.48) ESR1ESR2HRH3MLNRNR1I2
SCHEMBL225308 1.00 ESR1 (0.48) ESR1ESR2HRH3MLNRNR1I2
SCHEMBL224644 1.00 ESR1 (0.48) ESR1ESR2HRH3MLNRNR1I2
SCHEMBL228438 0.96 ESR1 (0.46) ESR1ESR2HRH3MLNRNR1I2
SCHEMBL228268 0.95 ESR1 (0.49) ESR1ESR2HRH3MLNRNR1I2
SCHEMBL226208 0.95 ESR1 (0.49) ESR1ESR2HRH3MLNRNR1I2
SCHEMBL228017 0.95 ESR1 (0.49) ESR1ESR2HRH3MLNRNR1I2
SCHEMBL226736 0.95 ESR1 (0.49) ESR1ESR2HRH3MLNRNR1I2
SCHEMBL224552 0.95 ESR1 (0.49) ESR1ESR2HRH3MLNRNR1I2
SCHEMBL227898 0.95 ESR1 (0.49) ESR1ESR2HRH3MLNRNR1I2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1577288-B1 Selective estrogen receptor modulators EISAI R&D MAN CO LTD (JP) 2014-07-23 EP disclosed
US-8399520-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2013-03-19 US disclosed
US-20120004315-A1 Selective Estrogen Receptor Modulator RADIUS HEALTH, INC. 2012-01-05 US disclosed
US-7960412-B2 Selective estrogen receptor modulator EISAI R&D MANAGEMENT CO., LTD. (JP) 2011-06-14 US disclosed
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR RADIUS HEALTH, INC. 2009-12-31 US disclosed
US-7612114-B2 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-11-03 US disclosed
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer EISAI CO., LTD. (JP) 2006-06-01 US disclosed
EP-1577288-A1 SELECTIVE ESTROGEN RECEPTOR MODULATORS Eisai Co., Ltd. (JP) 2005-09-21 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (3 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20090325930-A1 SELECTIVE ESTROGEN RECEPTOR MODULATOR ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885HRH3 561/4885
US-20060116364-A1 Such as (R)-6-{2-{ethyl[4-(2-ethylaminoethyl)benzyl]amino }-4-methoxyphenyl }-5,6,7,8-tetrahydronaphthalen-2-ol; osteoporosis; breast cancer BRCA1, BCR, RCC1 ESR1 34/4885ESR2 21/4885HRH3 114/4885
US-20120004315-A1 Selective Estrogen Receptor Modulator ESR1, GPER1, ESR2 ESR1 1/4885ESR2 3/4885HRH3 583/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.